1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea

C12H20N4O — CID 19328788

IUPAC1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CNC(=O)NC1CCCCC1
InChIInChI=1S/C12H20N4O/c1-16-11(7-8-14-16)9-13-12(17)15-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H2,13,15,17)
InChIKeyWNFDLOYRGSAMLC-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.55
Rot. Bonds3

About 1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea

1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea (PubChem CID 19328788) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea
PubChem CID19328788
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CNC(=O)NC1CCCCC1
InChIInChI=1S/C12H20N4O/c1-16-11(7-8-14-16)9-13-12(17)15-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H2,13,15,17)
InChIKeyWNFDLOYRGSAMLC-UHFFFAOYSA-N
XLogP1.55
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea (CID 19328788) is 1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea is Cn1nccc1CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea?
The InChIKey is WNFDLOYRGSAMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-11(7-8-14-16)9-13-12(17)15-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H2,13,15,17).
What are the key properties of 1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea?
1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea has a molecular weight of 236.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 19328788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).